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1,2-Benzenedicarboxylic acid, 1-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl) 2-[5-methyl-2-(1-methylethyl)cyclohexyl] ester

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1,2-Benzenedicarboxylic acid, 1-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl) 2-[5-methyl-2-(1-methylethyl)cyclohexyl] ester
SpectraBase Compound ID 9Pd1PYHPubb
InChI InChI=1S/C32H34O5/c1-21(2)26-18-13-22(3)19-30(26)37-32(35)28-12-8-7-11-27(28)31(34)36-20-29(33)25-16-14-24(15-17-25)23-9-5-4-6-10-23/h4-12,14-17,21-22,26,30H,13,18-20H2,1-3H3
InChIKey VOYNULGGQDAYBA-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C32H34O5
Exact Mass 498.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Q0MnIw02x0
Name 1,2-Benzenedicarboxylic acid, 1-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl) 2-[5-methyl-2-(1-methylethyl)cyclohexyl] ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.240624190 u
Formula C32H34O5
InChI InChI=1S/C32H34O5/c1-21(2)26-18-13-22(3)19-30(26)37-32(35)28-12-8-7-11-27(28)31(34)36-20-29(33)25-16-14-24(15-17-25)23-9-5-4-6-10-23/h4-12,14-17,21-22,26,30H,13,18-20H2,1-3H3
InChIKey VOYNULGGQDAYBA-UHFFFAOYSA-N
Molecular Weight 498.619 g/mol
SMILES C(C=1C(C(OCC(C2=CC=C(C=C2)C2=CC=CC=C2)=O)=O)=CC=CC1)(OC1C(CCC(C1)C)C(C)C)=O